0 B8R0.8 CC(O)C(OCCC)=O M10016208P [0,0,0,0,0,0|2,0,0]=2 1 B8R0.8 C[C@H](N)C(CCCC)=O M10784855P [0,0,0,0,0,0|3,0,0]=3 2 B8R0.8 C[C@H](O)C(OCCC)=O M10271936P [0,0,0,0,0,0|2,0,0]=2 3 B7R0.3 C=CC(NCCC)=O M10192147P [1,0,0,0,0,0|1,0,2]=4 4 B7R0.3 O=C(OC)CCCN M10119950P [1,0,0,0,0,0|3,0,0]=4 5 B7R0.3 O=C(OCCC)CBr M10226573P [1,0,0,0,0,0|3,0,0]=4 6 B7R0.4 CC(O)CNCCN M10004602P [1,0,0,0,0,0|1,0,1]=3 7 B7R0.5 CC(Br)C(OCC)=O M10013455P [1,0,0,0,0,0|2,0,0]=3 8 B7R0.5 CC(C(CCC)=O)=O M10058081P [1,0,0,0,0,0|1,0,2]=4 9 B7R0.5 CC(C)C(OCCl)=O M10342363P [1,0,0,0,0,0|3,0,0]=4 10 B7R0.5 CC(S)C(OCC)=O M10162587P [1,0,0,0,0,0|1,1,0]=3 11 B7R0.5 C[C@@H](Cl)C(OCC)=O M10248724P [1,0,0,0,0,0|2,0,0]=3 12 B7R0.5 C[C@@H](O)C(OCC)=O M10109851P [1,0,0,0,0,0|1,0,0]=2 13 B7R0.5 O=C(O)C(OCC)=O M10016281P [1,0,0,0,0,0|2,0,1]=4 14 B9R0.7 C=C(C)C(OCC(O)C)=O M11208097P [0,1,0,0,0,0|2,0,1]=4 15 B9R0.7 O=C(O)CNC(C(C)=C)=O M10180716P [0,1,0,0,0,0|1,0,2]=4 16 B9R0.47 C[C@H](O)C(OCCCC)=O M10223932P [0,1,0,0,0,0|2,0,0]=3 17 B9R1.5 O=C1NCCCCC1N M10018058P [0,0,0,1,0,0|2,0,0]=3 18 B9R1.5 O=C1NCCCC[C@H]1N M10204271P [0,0,0,1,0,0|2,0,0]=3 19 B9R1.40 O=C1C(C)(C)CCCC1 M10028759P [0,0,0,1,0,0|3,0,0]=4 20 B6R0.1 C=CC(NCC)=O M10081542P [2,0,0,0,0,0|0,0,2]=4 21 B6R0.1 O=C(OC)CCN M10060379P [2,0,0,0,0,0|2,0,0]=4 22 B6R0.1 O=C(OCC)CBr M10003242P [2,0,0,0,0,0|2,0,0]=4 23 B6R0.1 O=C(OCC)CN M10011247P [2,0,0,0,0,0|2,0,0]=4 24 B6R0.4 CC(C)CCCO M10016881P [2,0,0,0,0,0|1,0,1]=4 25 B6R0.4 CC(CCCBr)=O M10058337P [2,0,0,0,0,0|2,0,0]=4 26 B6R0.4 CC(NCCCl)C M10088269P [2,0,0,0,0,0|2,0,0]=4 27 B6R0.4 CC(NCCO)=O M10005418P [2,0,0,0,0,0|0,0,0]=2 28 B6R0.4 CC(O)CCCO M10016886P [2,0,0,0,0,0|0,0,1]=3 29 B6R0.4 CC(OCCO)=O M10013697P [2,0,0,0,0,0|1,0,0]=3 30 B6R0.4 O=C(N)NCCO M10039744P [2,0,0,0,0,0|1,0,0]=3 31 B6R0.4 O=C(O)CCCCl M10016891P [2,0,0,0,0,0|2,0,0]=4 32 B6R0.6 OCCSCCO M10003812P [2,0,0,0,0,0|1,0,1]=4 33 B6R0.3 CC(C(NC)=O)=C M10058367P [2,0,0,0,0,0|1,0,1]=4 34 B6R0.3 CC(C)C(OC)=O M10013809P [2,0,0,0,0,0|2,0,0]=4 35 B6R0.3 CC(O)C(OC)=O M10013810P [2,0,0,0,0,0|1,0,0]=3 36 B6R0.3 C[C@H](O)C(OC)=O M10199944P [2,0,0,0,0,0|1,0,0]=3 37 B8R0.1 O=C(OCC)CCCBr M10049666P [1,1,0,0,0,0|2,0,0]=4 38 B8R0.1 O=C(OCC)CCCCl M10051695P [1,1,0,0,0,0|2,0,0]=4 39 B8R0.1 O=C(OCC)CCCN M10097497P [1,1,0,0,0,0|2,0,0]=4 40 B8R0.1 O=C(OCC)NCCCl M10089881P [1,1,0,0,0,0|1,0,0]=3 41 B8R0.6 O=C(OCCCC)CO M10104696P [1,1,0,0,0,0|2,0,0]=4 42 B8R0.14 CC(C)(C)C(OCC)=O M10058723P [1,1,0,0,0,0|2,0,0]=4 43 B8R0.14 CC(F)(F)C(OCC)=O M10203528P [1,1,0,0,0,0|2,0,0]=4 44 B8R0.14 O=C(NCO)C(F)(F)F M10255309P [1,1,0,0,0,0|2,0,0]=4 45 B8R0.23 CC(C(NC(C)C)=O)=C M10126221P [1,1,0,0,0,0|1,0,1]=4 46 B8R0.23 C[C@@H](N)C(OC(C)C)=O M10240042P [1,1,0,0,0,0|2,0,0]=4 47 B10R0.28 O=C(OC(C)(C)C)NCCBr M10240262P [0,1,0,0,0,1|2,0,0]=4 48 B8R1.1 O=C1N[C@@H](CO)CC1 M10421051P [1,0,0,1,0,0|0,0,0]=2 49 B8R1.1 O=C1N[C@H](CBr)CC1 M10447477P [1,0,0,1,0,0|1,0,0]=3 50 B8R1.1 O=C1N[C@H](CN)CC1 M10768385P [1,0,0,1,0,0|1,0,0]=3 51 B8R1.1 O=C1N[C@H](CO)CC1 M10148902P [1,0,0,1,0,0|0,0,0]=2 52 B8R1.1 O=C1OCC(CO)O1 M10023416P [1,0,0,1,0,0|2,0,0]=4 53 B8R1.1 O=C1O[C@H](CO)CC1 M10218224P [1,0,0,1,0,0|1,0,0]=3 54 B8R1.5 O=C1C(C)CCCC1 M10014758P [1,0,0,1,0,0|2,0,0]=4 55 B8R1.22 O=C1CCNCCC1 M10254302P [1,0,0,1,0,0|2,0,0]=4 56 B8R1.4 CC1OC(C)CNC1 M10005400P [1,0,0,1,0,0|1,0,1]=4 57 B8R1.72 CC1(C)CNCCO1 M10771797P [1,0,0,1,0,0|1,0,1]=4 58 B10R1.34 O[C@@H]1[C@@H]([C@@H](CO)OC1=O)O M10193842P [0,1,0,1,0,0|1,0,0]=3